N-[4-[(3,5-dimethoxyanilino)methyl]phenyl]acetamide

C17H20N2O3 — CID 43824322

IUPACN-[4-[(3,5-dimethoxyanilino)methyl]phenyl]acetamide
SMILESCOc1cc(NCc2ccc(NC(C)=O)cc2)cc(OC)c1
InChIInChI=1S/C17H20N2O3/c1-12(20)19-14-6-4-13(5-7-14)11-18-15-8-16(21-2)10-17(9-15)22-3/h4-10,18H,11H2,1-3H3,(H,19,20)
InChIKeyLFGRQUDDTUOCDW-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.27
Rot. Bonds6

About N-[4-[(3,5-dimethoxyanilino)methyl]phenyl]acetamide

N-[4-[(3,5-dimethoxyanilino)methyl]phenyl]acetamide (PubChem CID 43824322) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[4-[(3,5-dimethoxyanilino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3,5-dimethoxyanilino)methyl]phenyl]acetamide
PubChem CID43824322
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[4-[(3,5-dimethoxyanilino)methyl]phenyl]acetamide
SMILESCOc1cc(NCc2ccc(NC(C)=O)cc2)cc(OC)c1
InChIInChI=1S/C17H20N2O3/c1-12(20)19-14-6-4-13(5-7-14)11-18-15-8-16(21-2)10-17(9-15)22-3/h4-10,18H,11H2,1-3H3,(H,19,20)
InChIKeyLFGRQUDDTUOCDW-UHFFFAOYSA-N
XLogP3.27
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide
CID 112982463
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CID 109190534
N-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108869362
N-(3,5-dimethoxyphenyl)acetamide
CID 702039
2-[4-[(3,5-dimethoxyphenyl)methylamino]phenyl]-N-phenylacetamide
CID 42852472
N-[4-fluoro-3-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 43672523
N-[2-fluoro-5-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 60928382
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]acetamide
CID 54838346
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109258158
4-[(4-acetamidophenyl)methylamino]benzoic acid
CID 43139218
N-[(4-acetamidophenyl)methyl]-2-methoxyacetamide
CID 29327648
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CID 109120236

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,5-dimethoxyanilino)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(3,5-dimethoxyanilino)methyl]phenyl]acetamide (CID 43824322) is N-[4-[(3,5-dimethoxyanilino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3,5-dimethoxyanilino)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(3,5-dimethoxyanilino)methyl]phenyl]acetamide is COc1cc(NCc2ccc(NC(C)=O)cc2)cc(OC)c1.
What is the InChIKey of N-[4-[(3,5-dimethoxyanilino)methyl]phenyl]acetamide?
The InChIKey is LFGRQUDDTUOCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12(20)19-14-6-4-13(5-7-14)11-18-15-8-16(21-2)10-17(9-15)22-3/h4-10,18H,11H2,1-3H3,(H,19,20).
What are the key properties of N-[4-[(3,5-dimethoxyanilino)methyl]phenyl]acetamide?
N-[4-[(3,5-dimethoxyanilino)methyl]phenyl]acetamide has a molecular weight of 300.36 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,5-dimethoxyanilino)methyl]phenyl]acetamide is sourced from PubChem (CID 43824322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).